Crystallography Open Database

Information card for entry 7119291

7119290 << 7119291 >> 7119292

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Coordinates	7119291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H50 Cu F6 N2 P
Calculated formula	C47 H50 Cu F6 N2 P
Title of publication	Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).
Authors of publication	Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	3
Pages of publication	549 - 552
a	12.7356 ± 0.0003 Å
b	16.3289 ± 0.0004 Å
c	23.5452 ± 0.0006 Å
α	81.7 ± 0.001°
β	82.851 ± 0.001°
γ	73.675 ± 0.001°
Cell volume	4631.6 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0453
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
189799 (current)	2017-01-04	cif/ Adding structures of 7119288, 7119289, 7119290, 7119291, 7119292 via cif-deposit CGI script.	7119291.cif