Crystallography Open Database

Information card for entry 7040035

Preview

Coordinates	7040035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 B Co F4 N4 Na O2
Calculated formula	C13 H16 B Co F4 N4 Na O2
Title of publication	Nitrous oxide activation by a cobalt(ii) complex for aldehyde oxidation under mild conditions.
Authors of publication	Corona, Teresa; Company, Anna
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	37
Pages of publication	14530 - 14533
a	9.991 ± 0.003 Å
b	6.986 ± 0.002 Å
c	12.879 ± 0.004 Å
α	90°
β	112.856 ± 0.005°
γ	90°
Cell volume	828.3 ± 0.4 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2662
Weighted residual factors for all reflections included in the refinement	0.3121
Goodness-of-fit parameter for all reflections included in the refinement	1.264
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
187150 (current)	2016-10-08	cif/ Updating files of 7040035, 7040036 Original log message: Adding full bibliography for 7040035--7040036.cif.	7040035.cif
184637	2016-07-23	cif/ Adding structures of 7040035, 7040036 via cif-deposit CGI script.	7040035.cif