Crystallography Open Database

Information card for entry 4337109

Preview

Coordinates	4337109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H48 N0 O30 P4 Zn6
Calculated formula	C84 H48 O30 P4 Zn6
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	22.9082 ± 0.0003 Å
b	22.9082 ± 0.0003 Å
c	22.9082 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	12021.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.127
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4337109.cif
106163	2014-03-15	cif/ Adding structures of 4337109 via cif-deposit CGI script.	4337109.cif