Crystallography Open Database

Information card for entry 2021813

2021812 << 2021813 >> 2021814

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Structure parameters

Chemical name	Poly[[aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){μ~3~-5-[(4-carboxylatophenoxy)methyl]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^}(μ-formato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')dicadmium(II)] monohydrate]
Formula	C37 H30 Cd2 N4 O11
Calculated formula	C37 H30 Cd2 N4 O11
Title of publication	Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties
Authors of publication	He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2019
Journal volume	75
Journal issue	12
a	13.8999 ± 0.0007 Å
b	18.0445 ± 0.0011 Å
c	14.4096 ± 0.0008 Å
α	90°
β	99.568 ± 0.002°
γ	90°
Cell volume	3563.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0393
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
227691 (current)	2019-11-13	cif/ hkl/ Adding structures of 2021813, 2021814 via cif-deposit CGI script.	2021813.cif 2021813.hkl