Crystallography Open Database

Information card for entry 4516379

Preview

Coordinates	4516379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H84 Cu7 I4 N11 O23
Calculated formula	C42 H27 Cu7 I4 N4 O15
Title of publication	Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties
Authors of publication	Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	4901
a	27.538 ± 0.004 Å
b	27.538 ± 0.004 Å
c	20.139 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	13226 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
231278 (current)	2019-11-22	cif/ Adding structures of 4516379 via cif-deposit CGI script.	4516379.cif