Crystallography Open Database

Information card for entry 7215894

Preview

Coordinates	7215894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Cd3 N14 O12
Calculated formula	C44 H34 Cd3 N14 O12
Title of publication	Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands
Authors of publication	He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5450
a	9.628 ± 0.0004 Å
b	21.337 ± 0.0007 Å
c	13.208 ± 0.0004 Å
α	90°
β	91.953 ± 0.003°
γ	90°
Cell volume	2711.78 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0445
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180489 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58.	7215894.cif
116176	2014-06-07	cif/ Updating files of 7215893, 7215894, 7215895, 7215896, 7215897, 7215898 Original log message: Adding full bibliography for 7215893--7215898.cif.	7215894.cif
113815	2014-05-15	cif/ Adding structures of 7215893, 7215894, 7215895, 7215896, 7215897, 7215898 via cif-deposit CGI script.	7215894.cif