Crystallography Open Database

Information card for entry 7001777

Preview

Coordinates	7001777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H51 Cl6 F6 Fe N3 O3 P3 Re Ru
Calculated formula	C62 H49.352 Cl6 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	11.3707 ± 0.0006 Å
b	16.6896 ± 0.0008 Å
c	17.4696 ± 0.0009 Å
α	74.436 ± 0.001°
β	83.073 ± 0.001°
γ	82.149 ± 0.001°
Cell volume	3151.5 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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