Crystallography Open Database

Information card for entry 7221657

Preview

Coordinates	7221657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cu2 N8 O16
Calculated formula	C40 H52 Cu2 N8 O16
Title of publication	Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid
Authors of publication	Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	35
Pages of publication	6724
a	26.01 ± 0.011 Å
b	10.83 ± 0.005 Å
c	15.972 ± 0.007 Å
α	90°
β	90.758 ± 0.007°
γ	90°
Cell volume	4499 ± 3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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