Crystallography Open Database

Information card for entry 4318629

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Coordinates	4318629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H106 N4 P2 Ru
Calculated formula	C100 H106 N4 P2 Ru
Title of publication	Phosphine and Phosphonite Complexes of a Ruthenium(II) Porphyrin. 1. Synthesis, Structure, and Solution State Studies
Authors of publication	Eugen Stulz; Michael Maue; Neil Feeder; Simon J. Teat; Yiu-Fai Ng; Andrew D. Bond; Scott L. Darling; Jeremy K. M. Sanders
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5255 - 5268
a	22.92 ± 0.005 Å
b	20.254 ± 0.005 Å
c	18.366 ± 0.005 Å
α	90°
β	102.44 ± 0.01°
γ	90°
Cell volume	8326 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2451
Residual factor for significantly intense reflections	0.2036
Weighted residual factors for significantly intense reflections	0.4681
Weighted residual factors for all reflections included in the refinement	0.5064
Goodness-of-fit parameter for all reflections included in the refinement	1.822
Diffraction radiation wavelength	0.6929 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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