Crystallography Open Database

Information card for entry 4117965

Preview

Coordinates	4117965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H94 Cd3 Cu N11 O21
Calculated formula	C71 H94 Cd3 Cu N11 O21
Title of publication	Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules
Authors of publication	Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8703 - 8710
a	10.3562 ± 0.0003 Å
b	17.8979 ± 0.0005 Å
c	44.1383 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8181.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178950 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/79.	4117965.cif
75108	2013-03-07	cif/ Adding structures of 4117965 via cif-deposit CGI script.	4117965.cif