Crystallography Open Database

Information card for entry 4337110

Preview

Coordinates	4337110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 N0 O18 P2 Zn4
Calculated formula	C42 H30 O18 P2 Zn4
Title of publication	Construction of Two Microporous Metal-Organic Frameworks with flu and pyr Topologies Based on Zn4(μ3-OH)2(CO2)6 and Zn6(μ6-O)(CO2)6 Secondary Building Units.
Authors of publication	Li, Xing-Jun; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Zhou, Kang; Yuan, Da-Qiang; Hong, Mao-Chun
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	1032 - 1038
a	13.71 ± 0.003 Å
b	14.753 ± 0.003 Å
c	20.027 ± 0.004 Å
α	90°
β	107.969 ± 0.003°
γ	90°
Cell volume	3853.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179474 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71.	4337110.cif
106164	2014-03-15	cif/ Adding structures of 4337110 via cif-deposit CGI script.	4337110.cif