Crystallography Open Database

Information card for entry 7242885

Preview

Coordinates	7242885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C226 H193 N7 Ni6 O78 Ti12
Calculated formula	C226 H193 N7 Ni6 O78 Ti12
Title of publication	Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties
Authors of publication	Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	24
Pages of publication	4402 - 4407
a	13.2237 ± 0.0002 Å
b	15.5692 ± 0.0002 Å
c	30.2206 ± 0.0004 Å
α	78.592 ± 0.001°
β	79.325 ± 0.001°
γ	71.855 ± 0.001°
Cell volume	5744.39 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267106 (current)	2021-07-05	cif/ Updating files of 7242884, 7242885 Original log message: Adding full bibliography for 7242884--7242885.cif.	7242885.cif
265347	2021-05-20	cif/ Adding structures of 7242884, 7242885 via cif-deposit CGI script.	7242885.cif