Crystallography Open Database

Information card for entry 4306874

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Coordinates	4306874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cu2 N10 O6 P2
Calculated formula	C34 H34 Cu2 N10 O6 P2
Title of publication	Metal Phosphonates Based on Bis(benzimidazol-2-ylmethyl)imino Methylenephosphonate: From Discrete Dimer to Two-Dimensional Network Containing Metallomacrocycles
Authors of publication	Deng-Ke Cao; Jing Xiao; Jian-Wei Tong; Yi-Zhi Li; Li-Min Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	428 - 436
a	11.4778 ± 0.0014 Å
b	13.1159 ± 0.0015 Å
c	24.903 ± 0.003 Å
α	90°
β	102.761 ± 0.003°
γ	90°
Cell volume	3656.3 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.1107
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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