Crystallography Open Database

Information card for entry 4069098

Preview

Coordinates	4069098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H65 Lu O Si W2
Calculated formula	C36 H50 Lu O Si W2
Title of publication	Rare Earth/d-Transition Metal Heteromultimetallic Polyhydride Complexes Based on Half-Sandwich Rare Earth Moieties
Authors of publication	Shima, Takanori; Hou, Zhaomin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2244
a	22.1508 ± 0.0015 Å
b	8.6388 ± 0.0006 Å
c	21.9077 ± 0.0015 Å
α	90°
β	112.433 ± 0.001°
γ	90°
Cell volume	3874.9 ± 0.5 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
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	0.0561
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178507 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/90.	4069098.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069098.cif
40129	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069098, 4069099, 4069100, 4069101, 4069102, 4069103 via cif-deposit CGI script.	4069098.cif