Crystallography Open Database

Information card for entry 4085197

Preview

Coordinates	4085197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 B10 Co Fe O4 S2
Calculated formula	C27 H35 B10 Co Fe O4 S2
Title of publication	Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes
Authors of publication	Liu, Guifeng; Yan, Hong
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	3
Pages of publication	591
a	11.311 ± 0.002 Å
b	21.679 ± 0.004 Å
c	13.649 ± 0.003 Å
α	90°
β	92.762 ± 0.003°
γ	90°
Cell volume	3343 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	0.848
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
178740 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51.	4085197.cif
132980	2015-03-04	cif/ Updating files of 4085191, 4085192, 4085193, 4085194, 4085195, 4085196, 4085197, 4085198, 4085199, 4085200, 4085201 Original log message: Adding full bibliography for 4085191--4085201.cif.	4085197.cif
129932	2015-01-17	cif/ Adding structures of 4085191, 4085192, 4085193, 4085194, 4085195, 4085196, 4085197, 4085198, 4085199, 4085200, 4085201 via cif-deposit CGI script.	4085197.cif