Crystallography Open Database

Information card for entry 4329014

Preview

Coordinates	4329014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Cu N4 O10 Zn2
Calculated formula	C44 H32 Cu N4 O10 Zn2
Title of publication	Triple Framework Interpenetration and Immobilization of Open Metal Sites within a Microporous Mixed Metal-Organic Framework for Highly Selective Gas Adsorption
Authors of publication	Zhangjing Zhang; Shengchang Xiang; Kunlun Hong; Madhab, C. Das; Hadi D. Arman; Maya Garcia; Jalal U. Mondal; K. Mark Thomas; Banglin Chen
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4947 - 4953
a	22.564 ± 0.004 Å
b	20.405 ± 0.004 Å
c	14.919 ± 0.003 Å
α	90°
β	129.76 ± 0.03°
γ	90°
Cell volume	5280 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2185
Weighted residual factors for all reflections included in the refinement	0.2447
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179393 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/90.	4329014.cif
78054	2013-04-01	cif/ Adding structures of 4329014 via cif-deposit CGI script.	4329014.cif