Crystallography Open Database

Information card for entry 7230011

Preview

Coordinates	7230011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H86 Cd3 N14 O22 P2
Calculated formula	C96 H74 Cd3 N14 O22 P2
Title of publication	Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes
Authors of publication	Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	8
Pages of publication	4039
a	10.6823 ± 0.0007 Å
b	15.8149 ± 0.0009 Å
c	15.9776 ± 0.001 Å
α	63.889 ± 0.001°
β	79.164 ± 0.001°
γ	72.15 ± 0.001°
Cell volume	2302.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0578
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
205530 (current)	2018-01-24	cif/ Adding structures of 7230007, 7230008, 7230009, 7230010, 7230011, 7230012 via cif-deposit CGI script.	7230011.cif