Crystallography Open Database

Information card for entry 7126172

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Coordinates	7126172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 F8 N6 Ru
Calculated formula	C64 H54 F8 N6 Ru
Title of publication	The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.
Authors of publication	Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	32
Pages of publication	4428 - 4431
a	28.865 ± 0.004 Å
b	12.4422 ± 0.0014 Å
c	18.7711 ± 0.0019 Å
α	90°
β	128.307 ± 0.004°
γ	90°
Cell volume	5290.1 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0778
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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