Crystallography Open Database

Information card for entry 7213905

Preview

Coordinates	7213905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H148 Cd7 N4 Na2 O60
Calculated formula	C168 H145 Cd7 N4 Na2 O60
Title of publication	Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties
Authors of publication	Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	784
a	21.769 ± 0.002 Å
b	21.769 ± 0.002 Å
c	44.426 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	21053 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7213905.cif
105204	2014-03-11	cif/ Adding structures of 7213902, 7213903, 7213904, 7213905 via cif-deposit CGI script.	7213905.cif