Crystallography Open Database

Information card for entry 7701521

Preview

Coordinates	7701521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H70 Ni O4
Calculated formula	C62 H70 Ni O4
Title of publication	Sterically encumbered β-diketonates and base metal catalysis.
Authors of publication	Krajewski, Sebastian M.; Crossman, Aaron S.; Akturk, Eser S.; Suhrbier, Tim; Scappaticci, Steven J.; Staab, Maxwell W.; Marshak, Michael P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10714 - 10722
a	19.3376 ± 0.0006 Å
b	13.0912 ± 0.0004 Å
c	20.9186 ± 0.0006 Å
α	90°
β	90.091 ± 0.001°
γ	90°
Cell volume	5295.6 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.61 K
Number of distinct elements	4
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	0.0503
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223294 (current)	2019-11-05	cif/ Adding structures of 7701515, 7701516, 7701517, 7701518, 7701519, 7701520, 7701521 via cif-deposit CGI script.	7701521.cif