Crystallography Open Database

Information card for entry 4102962

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Coordinates	4102962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198 H205 Cl N16 Ni3
Calculated formula	C198 H205 Cl N16 Ni3
Title of publication	Directly Pd(II)-Bridged Porphyrin Belts with Remarkable Curvatures
Authors of publication	Jianxin Song; Naoki Aratani; Ji Haeng Heo; Dongho Kim; Hiroshi Shinokubo; Atsuhiro Osuka
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	11868 - 11869
a	17.66 ± 0.004 Å
b	22.964 ± 0.005 Å
c	28.213 ± 0.006 Å
α	81.593 ± 0.004°
β	88.742 ± 0.004°
γ	80.885 ± 0.004°
Cell volume	11176 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.2065
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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