Crystallography Open Database

Information card for entry 4328270

Preview

Coordinates	4328270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H56 Cl3 N14 O12.5 Ru2
Calculated formula	C61 H56 Cl3 N14 O12.5 Ru2
Title of publication	Substitution Reactions in Dinuclear Ru-Hbpp Complexes: an Evaluation of Through-Space Interactions
Authors of publication	Nora Planas; Gemma Christian; Stephan Roeser; Elena Mas-Marzá; Mohan-Rao Kollipara; Jordi Benet-Buchholz; Feliu Maseras; Antoni Llobet
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1889 - 1901
a	13.2188 ± 0.0003 Å
b	15.995 ± 0.0005 Å
c	16.5739 ± 0.0005 Å
α	73.258 ± 0.001°
β	74.33 ± 0.001°
γ	69.045 ± 0.001°
Cell volume	3078.63 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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