Crystallography Open Database

Information card for entry 7215146

Preview

Coordinates	7215146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H26 Br8 Cd2 N12 O9
Calculated formula	C46 H26 Br8 Cd2 N12 O9
Title of publication	Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration
Authors of publication	Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	27
Pages of publication	5552
a	13.5703 ± 0.001 Å
b	14.408 ± 0.0011 Å
c	19.4879 ± 0.0015 Å
α	93.937 ± 0.001°
β	109.856 ± 0.001°
γ	93.505 ± 0.001°
Cell volume	3560.8 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
180482 (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 7/21/51.	7215146.cif
111348	2014-04-21	cif/ Adding structures of 7215144, 7215145, 7215146 via cif-deposit CGI script.	7215146.cif