Crystallography Open Database

Information card for entry 4102568

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Coordinates	4102568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Co Fe2 N14 O4
Calculated formula	C38 H20 Co Fe2 N14 O4
Title of publication	Photoinduced Metal-to-Metal Charge Transfer toward Single-Chain Magnet
Authors of publication	Tao Liu; Yan-Juan Zhang; Shinji Kanegawa; Osamu Sato
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	8250 - 8251
a	11.134 ± 0.002 Å
b	28.383 ± 0.006 Å
c	6.6499 ± 0.0013 Å
α	90°
β	113.7 ± 0.03°
γ	90°
Cell volume	1924.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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