Crystallography Open Database

Information card for entry 4118787

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Coordinates	4118787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 Co N5 O7 S3
Calculated formula	C37 H59 Co N5 O7 S3
Title of publication	Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands
Authors of publication	David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	17526 - 17535
a	26.5997 ± 0.0015 Å
b	9.6741 ± 0.0005 Å
c	31.4984 ± 0.0018 Å
α	90°
β	90.3563 ± 0.0006°
γ	90°
Cell volume	8105.3 ± 0.8 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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