Crystallography Open Database

Information card for entry 7001781

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Structure parameters

Formula	C68 H63 Cl2 F6 Fe N3 O3 P3 Re Ru
Calculated formula	C68 H63 Cl2 F6 Fe N3 O3 P3 Re Ru
Title of publication	Organobimetallic RuII–ReI 4-ethynylpyridyl complexes: structures and non-linear optical properties
Authors of publication	Ge, Qingchun; Corkery, T. Christopher; Humphrey, Mark G.; Samoc, Marek; Hor, T. S. Andy
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	31
Pages of publication	6192
a	11.8417 ± 0.0003 Å
b	10.4494 ± 0.0003 Å
c	54.2177 ± 0.0016 Å
α	90°
β	93.128 ± 0.001°
γ	90°
Cell volume	6698.8 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.446
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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