Crystallography Open Database

Information card for entry 7211659

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Structure parameters

Formula	C48 H28 Br12 Cd N4 O14
Calculated formula	C48 H28 Br12 Cd N4 O14
SMILES	OC(=O)c1c(Br)c(Br)c(C(=O)O)c(Br)c1Br.[OH2][Cd]([n]1ccc(cc1)/C=C/c1[nH+]cccc1)([n]1ccc(cc1)/C=C/c1[nH+]cccc1)(OC(=O)c1c(Br)c(Br)c(C(=O)[O-])c(Br)c1Br)(OC(=O)c1c(Br)c(Br)c(C(=O)[O-])c(Br)c1Br)[OH2]
Title of publication	Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands
Authors of publication	Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	834
a	9.1883 ± 0.0004 Å
b	13.9263 ± 0.0007 Å
c	21.9249 ± 0.001 Å
α	90°
β	97.257 ± 0.001°
γ	90°
Cell volume	2783 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0473
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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