Crystallography Open Database

Information card for entry 7209669

7209668 << 7209669 >> 7209670

Preview

Coordinates	7209669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Cd N10 O9
Calculated formula	C32 H32 Cd N10 O9
Title of publication	Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties
Authors of publication	Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	14
Pages of publication	2657
a	16.931 ± 0.003 Å
b	9.908 ± 0.002 Å
c	21.471 ± 0.004 Å
α	90°
β	108.61 ± 0.03°
γ	90°
Cell volume	3413.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209669.cif
86067	2013-05-09	cif/ Adding structures of 7209665, 7209666, 7209667, 7209668, 7209669, 7209670 via cif-deposit CGI script.	7209669.cif