Crystallography Open Database

Information card for entry 7001778

Preview

Coordinates	7001778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H57 F6 Fe N3 O4.5 P3 Re Ru
Calculated formula	C67 H57 F6 Fe N3 O4.5 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	10.9936 ± 0.0004 Å
b	15.0032 ± 0.0005 Å
c	19.5116 ± 0.0006 Å
α	76.837 ± 0.001°
β	87.376 ± 0.001°
γ	76.478 ± 0.001°
Cell volume	3046.71 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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