Crystallography Open Database

Information card for entry 2108126

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Structure parameters

Common name	complex 3
Formula	C18 H24 Cd N2 O9
Calculated formula	C18 H24 Cd N2 O9
SMILES	[Cd]12(OC(=[O]1)c1oc(cc1)c1oc(C(=O)[O-])cc1)([OH]C)([O]=CN(C)C)([O]=CN(C)C)OC(=[O]2)c1oc(cc1)c1oc(cc1)C(=[O]1)O[Cd]1([OH]C)([O]=CN(C)C)[O]=CN(C)C
Title of publication	Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Authors of publication	Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Journal of publication	Acta Crystallographica Section B
Year of publication	2017
Journal volume	73
Journal issue	4
Pages of publication	715 - 721
a	10.9131 ± 0.0005 Å
b	11.3385 ± 0.0005 Å
c	17.4385 ± 0.0008 Å
α	90°
β	94.215 ± 0.002°
γ	90°
Cell volume	2151.97 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0394
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
281689 (current)	2023-03-07	cif/2 Fixing a few Z values and formulae	2108126.cif 2108126.hkl
199398	2017-07-29	cif/ hkl/ Adding structures of 2108124, 2108125, 2108126, 2108127 via cif-deposit CGI script.	2108126.cif 2108126.hkl