Crystallography Open Database

Information card for entry 7213961

Preview

Coordinates	7213961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 Cd4 N16 O28
Calculated formula	C54.002 H56 Cd4 N16 O28
Title of publication	A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand
Authors of publication	Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	11
Pages of publication	2188
a	16.804 ± 0.002 Å
b	16.228 ± 0.002 Å
c	26.461 ± 0.004 Å
α	90°
β	103.17 ± 0.002°
γ	90°
Cell volume	7026 ± 1.6 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	0.0665
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
180470 (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 7/21/39.	7213961.cif
105215	2014-03-11	cif/ Adding structures of 7213957, 7213958, 7213959, 7213960, 7213961 via cif-deposit CGI script.	7213961.cif