Crystallography Open Database

Information card for entry 7207497

7207496 << 7207497 >> 7207498

Preview

Coordinates	7207497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H66 Cd23 Cl2 N176 O11
Calculated formula	C44 H42 Cd23 Cl2 N176 O11
Title of publication	An unprecedented (4,10)-connected porous metal‒organic framework containing two rare large secondary building units (SBUs)
Authors of publication	Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Lu, Tong-Bu; Wang, Ke-Jun
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	5
Pages of publication	1538
a	36.087 ± 0.003 Å
b	13.2881 ± 0.001 Å
c	19.2349 ± 0.0014 Å
α	90°
β	107.849 ± 0.001°
γ	90°
Cell volume	8779.7 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
180405 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/74.	7207497.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207497.cif
37657	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207497 via cif-deposit CGI script.	7207497.cif