Crystallography Open Database

Information card for entry 7700567

Preview

Coordinates	7700567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H86 Cr2 N14 O
Calculated formula	C65 H86 Cr2 N14 O
Title of publication	[Cr(pincer<sup>2-</sup>)]<sub>2</sub> as an electron shuttle for reductively promoted hydrazine disproportionation.
Authors of publication	Labrum, Nicholas S.; Caulton, Kenneth G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11642 - 11646
a	15.7688 ± 0.0017 Å
b	15.4878 ± 0.0016 Å
c	26.5 ± 0.003 Å
α	90°
β	99.1594 ± 0.0017°
γ	90°
Cell volume	6389.4 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1326
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for all reflections	0.2568
Weighted residual factors for significantly intense reflections	0.2161
Weighted residual factors for all reflections included in the refinement	0.2567
Goodness-of-fit parameter for all reflections included in the refinement	1.0097
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224373 (current)	2019-11-08	cif/ Updating files of 7700567 Original log message: Adding full bibliography for 7700567.cif.	7700567.cif
217088	2019-07-17	cif/ Adding structures of 7700567 via cif-deposit CGI script.	7700567.cif