Crystallography Open Database

Information card for entry 7207091

7207090 << 7207091 >> 7207092

Preview

Coordinates	7207091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Cu2 N4 O8
Calculated formula	C44 H40 Cu2 N4 O8
Title of publication	Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds
Authors of publication	Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	4
Pages of publication	1301
a	14.7048 ± 0.0006 Å
b	13.1186 ± 0.0005 Å
c	26.8081 ± 0.0008 Å
α	90°
β	131.266 ± 0.001°
γ	90°
Cell volume	3887.2 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0821
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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