Crystallography Open Database

Information card for entry 7222354

Preview

Coordinates	7222354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H86 Cd3 N16 O26 S2
Calculated formula	C72 H84 Cd3 N16 O26 S2
Title of publication	Structures and third-order nonlinear optical properties of two three-dimensional Cd(ii) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies
Authors of publication	Lian, Zhaoxun; Jiang, Kai; Lou, Tianjun
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	101
Pages of publication	82781
a	10.601 ± 0.0017 Å
b	17.872 ± 0.003 Å
c	21.185 ± 0.004 Å
α	90°
β	96.196 ± 0.003°
γ	90°
Cell volume	3990.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
159056 (current)	2015-09-30	cif/ Adding structures of 7222354, 7222355 via cif-deposit CGI script.	7222354.cif