Crystallography Open Database

Information card for entry 4330162

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Structure parameters

Formula	C67 H85 B Cu N8 O7 P2
Calculated formula	C67 H85 B Cu N8 O7 P2
Title of publication	Copper(I) Nitro Complex with an Anionic [HB(3,5-Me2Pz)3]-Ligand: A Synthetic Model for the Copper Nitrite Reductase Active Site
Authors of publication	Sodio C. N. Hsu; Yu-Lun Chang; Wan-Jung Chuang; Hsing-Yin Chen; I-Jung Lin; Michael Y. Chiang; Chai-Lin Kao; Hsuan-Ying Chen
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9297 - 9308
a	9.7899 ± 0.0001 Å
b	13.9485 ± 0.0002 Å
c	25.4657 ± 0.0003 Å
α	95.154 ± 0.001°
β	93.366 ± 0.001°
γ	106.046 ± 0.001°
Cell volume	3315.76 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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