Crystallography Open Database

Information card for entry 1504420

Preview

Coordinates	1504420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H45 Ho N2 Si2
Calculated formula	C31 H45 Ho N2 Si2
SMILES	[Ho]12345([c]6([cH]1[cH]2[c]13cccc[c]461)CCN1C=5N(C=C1)c1c(cc(cc1C)C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Highly 3,4-Selective Living Polymerization of Isoprene with Rare Earth Metal Fluorenyl N-Heterocyclic Carbene Precursors
Authors of publication	Wang, Baoli; Cui, Dongmei; Lv, Kui
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	6
Pages of publication	1983
a	10.5662 ± 0.0007 Å
b	23.2337 ± 0.0014 Å
c	13.8856 ± 0.0009 Å
α	90°
β	107.19 ± 0.001°
γ	90°
Cell volume	3256.5 ± 0.4 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	5
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	0.024
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504420.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504420.cif
42034	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504420 via cif-deposit CGI script.	1504420.cif