Crystallography Open Database

Information card for entry 7218524

Preview

Coordinates	7218524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H77.61 Cd3 Cl6 N21 O1.87
Calculated formula	C99 H77.6121 Cd3 Cl6 N21 O1.8707
Title of publication	Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration
Authors of publication	Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	546
a	12.7505 ± 0.0005 Å
b	18.627 ± 0.0008 Å
c	20.5062 ± 0.0005 Å
α	85.451 ± 0.003°
β	86.386 ± 0.003°
γ	72.095 ± 0.004°
Cell volume	4616 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0556
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180516 (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 7/21/85.	7218524.cif
133182	2015-03-06	cif/ Updating files of 7218524, 7218525, 7218526 Original log message: Adding full bibliography for 7218524--7218526.cif.	7218524.cif
125524	2014-10-18	cif/ Adding structures of 7218524, 7218525, 7218526 via cif-deposit CGI script.	7218524.cif