Crystallography Open Database

Information card for entry 4318631

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Coordinates	4318631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H106 N4 O4 P2 Ru
Calculated formula	C84 H106 N4 O4 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	9.8043 ± 0.0002 Å
b	10.7826 ± 0.0003 Å
c	18.6293 ± 0.0006 Å
α	87.309 ± 0.002°
β	77.381 ± 0.002°
γ	84.103 ± 0.002°
Cell volume	1911.06 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0703
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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