Crystallography Open Database

Information card for entry 7003885

Preview

Coordinates	7003885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H68 B3 Nd O5
Calculated formula	C44 H68 B3 Nd O5
SMILES	[Nd]12([H][BH2][H]1)([H][BH2][H]2)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Cationic rare-earth metal bis(tetrahydridoborato) complexes: direct synthesis, structure and ring-opening polymerisation activity toward cyclic esters
Authors of publication	Robert, Dominique; Kondracka, Małgorzata; Okuda, Jun
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	20
Pages of publication	2667 - 2669
a	13.033 ± 0.002 Å
b	13.516 ± 0.002 Å
c	24.968 ± 0.004 Å
α	90°
β	90.071 ± 0.009°
γ	90°
Cell volume	4398.2 ± 1.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0531
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7003885.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003885.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003885.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003885.cif