Crystallography Open Database

Information card for entry 4512335

Preview

Coordinates	4512335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C159 H122 Cd6 N5 O30
Calculated formula	C159 H122 Cd6 N5 O30
Title of publication	Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand
Authors of publication	Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6521
a	42.439 ± 0.01 Å
b	13.969 ± 0.004 Å
c	33.47 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	19842 ± 9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179670 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/23.	4512335.cif
131324	2015-02-07	cif/ Updating files of 4512334, 4512335 Original log message: Adding full bibliography for 4512334--4512335.cif.	4512335.cif
127606	2014-11-21	cif/ Adding structures of 4512335 via cif-deposit CGI script.	4512335.cif