Crystallography Open Database

Information card for entry 7217627

Preview

Coordinates	7217627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H38 Cu6 N6 O36
Calculated formula	C75 H39 Cu6 N6 O36
Title of publication	Enhanced water stability of a microporous acylamide-functionalized metal‒organic framework via interpenetration and methyl decoration
Authors of publication	Zheng, Baishu; Lin, Xiu; Wang, Zhaoxu; Yun, Ruirui; Fan, Yanpeng; Ding, Mingsheng; Hu, Xiaolian; Yi, Pinggui
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	41
Pages of publication	9586
a	29.627 ± 0.003 Å
b	29.627 ± 0.003 Å
c	29.627 Å
α	90°
β	90°
γ	90°
Cell volume	26005 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.3059
Weighted residual factors for all reflections included in the refinement	0.3233
Goodness-of-fit parameter for all reflections included in the refinement	1.199
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
180507 (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 7/21/76.	7217627.cif
124690	2014-10-06	cif/ Updating files of 7217627 Original log message: Adding full bibliography for 7217627.cif.	7217627.cif
121630	2014-08-08	cif/ Adding structures of 7217627 via cif-deposit CGI script.	7217627.cif