Crystallography Open Database

Information card for entry 7049558

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Coordinates	7049558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H52 Co2 F12 N10 O2 P2
Calculated formula	C62 H52 Co2 F12 N10 O2 P2
Title of publication	Aerobic oxygenation catalyzed by first row transition metal complexes coordinated by tetradentate mono-carbon bridged bis-phenanthroline ligands: intra- versus intermolecular carbon-hydrogen bond activation.
Authors of publication	Shen, Kaiji; Diskin-Posner, Yael; Shimon, Linda J. W.; Leitus, Gregory; Carmieli, Raanan; Neumann, Ronny
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6396 - 6407
a	9.4342 ± 0.0002 Å
b	12.48 ± 0.0003 Å
c	12.6695 ± 0.0002 Å
α	102.318 ± 0.002°
β	97.292 ± 0.002°
γ	92.148 ± 0.002°
Cell volume	1442.35 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224182 (current)	2019-11-08	cif/ Updating files of 7049557, 7049558, 7049559, 7049560, 7049561, 7049562, 7049563, 7049564, 7049565, 7049566, 7049567, 7049568, 7049569 Original log message: Adding full bibliography for 7049557--7049569.cif.	7049558.cif
214482	2019-04-04	cif/ Adding structures of 7049557, 7049558, 7049559, 7049560, 7049561, 7049562, 7049563, 7049564, 7049565, 7049566, 7049567, 7049568, 7049569 via cif-deposit CGI script.	7049558.cif