Crystallography Open Database

Information card for entry 7242884

Preview

Coordinates	7242884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H67 N Ni2 O28 Ti4
Calculated formula	C82 H67 N Ni2 O28 Ti4
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	14.4874 ± 0.0009 Å
b	14.58 ± 0.0009 Å
c	22.5228 ± 0.0015 Å
α	103.963 ± 0.003°
β	91.48 ± 0.003°
γ	116.861 ± 0.003°
Cell volume	4068.4 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0934
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7242884.cif
265347	2021-05-20	cif/ Adding structures of 7242884, 7242885 via cif-deposit CGI script.	7242884.cif