Crystallography Open Database

Information card for entry 7210440

Preview

Coordinates	7210440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H90 Cd3 N12 O12 S6
Calculated formula	C84 H90 Cd3 N12 O12 S6
Title of publication	Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands
Authors of publication	Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	36
Pages of publication	7161
a	11.9375 ± 0.0013 Å
b	11.9375 ± 0.0013 Å
c	17.2686 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	2131.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
180435 (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 7/21/04.	7210440.cif
87625	2013-08-27	cif/ Adding structures of 7210439, 7210440 via cif-deposit CGI script.	7210440.cif