Crystallography Open Database

Information card for entry 7206729

7206728 << 7206729 >> 7206730

Preview

Coordinates	7206729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Cd N5 O9
Calculated formula	C18 H17 Cd N5 O9
Title of publication	Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers
Authors of publication	Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6373
a	10.5156 ± 0.0015 Å
b	9.3977 ± 0.0013 Å
c	23.034 ± 0.003 Å
α	90°
β	99.967 ± 0.002°
γ	90°
Cell volume	2241.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206729.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206729.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206729.cif
29994	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206728, 7206729 via cif-deposit CGI script.	7206729.cif