Crystallography Open Database

Information card for entry 4515859

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Coordinates	4515859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H44 Cl3 N2 O2 P2 Ru
Calculated formula	C59 H44 Cl3 N2 O2 P2 Ru
Title of publication	Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.
Authors of publication	Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	10
Pages of publication	13323 - 13334
a	27.173 ± 0.009 Å
b	18.901 ± 0.006 Å
c	23.601 ± 0.012 Å
α	90°
β	121.36 ± 0.013°
γ	90°
Cell volume	10351 ± 7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
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	0.1073
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	1.467
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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