Crystallography Open Database

Information card for entry 7201047

7201046 << 7201047 >> 7201048

Preview

Coordinates	7201047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 Cd3 N4 O16
Calculated formula	C54 H38 Cd3 N4 O16
Title of publication	Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands
Authors of publication	Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1842
a	24.126 ± 0.002 Å
b	9.992 ± 0.002 Å
c	25.085 ± 0.003 Å
α	90°
β	116.902 ± 0.005°
γ	90°
Cell volume	5392.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
180341 (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 7/20/10.	7201047.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201047.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201047.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201047.cif