Crystallography Open Database

Information card for entry 7034066

Preview

Coordinates	7034066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 B2 Er N O2 P2 S Si
Calculated formula	C36 H54 B2 Er N O2 P2 S Si
Title of publication	(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.
Authors of publication	Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	27
Pages of publication	12338 - 12348
a	9.835 ± 0.002 Å
b	11.424 ± 0.002 Å
c	36.01 ± 0.007 Å
α	90°
β	97.21 ± 0.03°
γ	90°
Cell volume	4013.9 ± 1.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
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	0.1049
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
180046 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40.	7034066.cif
143634	2015-07-11	cif/ Updating files of 7034061, 7034062, 7034063, 7034064, 7034065, 7034066, 7034067, 7034068 Original log message: Adding full bibliography for 7034061--7034068.cif.	7034066.cif
131908	2015-02-17	cif/ Adding structures of 7034061, 7034062, 7034063, 7034064, 7034065, 7034066, 7034067, 7034068 via cif-deposit CGI script.	7034066.cif