Crystallography Open Database

Information card for entry 4122370

Preview

Coordinates	4122370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cl4 Co2 N10 O3
Calculated formula	C36 H28 Cl4 Co2 N10 O3
Title of publication	Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.
Authors of publication	Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	36
Pages of publication	12560 - 12563
a	7.8436 ± 0.0009 Å
b	9.7124 ± 0.0011 Å
c	12.4551 ± 0.0013 Å
α	85.689 ± 0.002°
β	77.537 ± 0.001°
γ	83.59 ± 0.002°
Cell volume	919.4 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0618
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179025 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/23.	4122370.cif
124653	2014-10-06	cif/ Updating files of 4122370, 4122371 Original log message: Adding full bibliography for 4122370--4122371.cif.	4122370.cif
121072	2014-08-02	cif/ Adding structures of 4122370 via cif-deposit CGI script.	4122370.cif