Crystallography Open Database

Information card for entry 4348346

Preview

Coordinates	4348346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H64 Cd5 Cl10 N6 O20
Calculated formula	C72 H48 Cd5 Cl10 N6 O15
Title of publication	Porous Coordination Polymer Based on Bipyridinium Carboxylate Linkers with High and Reversible Ammonia Uptake.
Authors of publication	Leroux, Maxime; Mercier, Nicolas; Allain, Magali; Dul, Marie-Claire; Dittmer, Jens; Kassiba, Abdel Hadi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8587 - 8594
a	18.196 ± 0.005 Å
b	18.196 ± 0.005 Å
c	15.127 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4337 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232883 (current)	2019-11-23	cif/ Adding structures of 4348346 via cif-deposit CGI script.	4348346.cif