Crystallography Open Database

Information card for entry 4309952

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Coordinates	4309952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H109 Cu2 N24 Ni2 O7
Calculated formula	C101 H109 Cu2 N24 Ni2 O7
Title of publication	Novel Metal-Linked Face-to-Face Porphyrazine Dimer
Authors of publication	Chang Zhong; Min Zhao; Charlotte Stern; Anthony G. M. Barrett; Brian M. Hoffman
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8272 - 8276
a	14.254 ± 0.003 Å
b	52.652 ± 0.013 Å
c	13.443 ± 0.002 Å
α	90°
β	101.065 ± 0.017°
γ	90°
Cell volume	9901 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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