Crystallography Open Database

Information card for entry 7053598

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Coordinates	7053598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 B Nd O Si
Calculated formula	C32 H34 B Nd O Si
SMILES	[Nd]123456789([O]%10CCCC%10)([c]%10([Si](C)(C)[c]%115[c]56[c]7(cccc5)[c]58[c]9%11cccc5)[c]51cccc[c]25[c]13cccc[c]4%101)[H][BH3]
Title of publication	Neutral ansa-bis(fluorenyl)silane neodymium borohydrides: synthesis, structural study and behaviour as catalysts in butadiene‒ethylene copolymerisation
Authors of publication	Cortial, Guillaume; Le Goff, Xavier-Frederic; Bousquié, Magali; Boisson, Christophe; Le Floch, Pascal; Nief, François; Thuilliez, Julien
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	10
Pages of publication	2290
a	9.4 ± 0.001 Å
b	11.887 ± 0.001 Å
c	24.07 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2689.5 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180089 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35.	7053598.cif
93732	2014-01-13	cif/ Adding structures of 7053594, 7053595, 7053596, 7053597, 7053598, 7053599, 7053600 via cif-deposit CGI script.	7053598.cif