Crystallography Open Database

Information card for entry 4070001

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Coordinates	4070001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H22 N3 O3 Re S
Calculated formula	C39 H22 N3 O3 Re S
Title of publication	fac-Tricarbonyl Rhenium(I) Azadipyrromethene Complexes
Authors of publication	Partyka, David V.; Deligonul, Nihal; Washington, Marlena P.; Gray, Thomas G.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	20
Pages of publication	5837
a	11.9231 ± 0.0013 Å
b	11.9357 ± 0.0013 Å
c	12.8357 ± 0.0014 Å
α	63.96 ± 0.001°
β	74.728 ± 0.001°
γ	83.49 ± 0.001°
Cell volume	1583.3 ± 0.3 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	0.0224
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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