Crystallography Open Database

Information card for entry 1507982

Preview

Coordinates	1507982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H116 Dy4 Mo Si4
Calculated formula	C65 H116 Dy4 Mo Si4
SMILES	[Dy]1234567([c]8([c]1([c]2([c]3([c]48C)C)C)C)[Si](C)(C)C)[H][Dy]123489%10([c]%11([Si](C)(C)C)[c]1([c]2([c]3([c]4%11C)C)C)C)[H][Dy]1234%11([c]%12([Si](C)(C)C)[c]1([c]2([c]3([c]4%12C)C)C)C)([H]5)[H][Dy]12345([c]%12([c]4([c]3([c]2([c]1%12C)C)C)C)[Si](C)(C)C)([H]8%11)[H]%10[Mo]1234([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)([H]69)([H]7)[H]5.Cc1ccccc1
Title of publication	Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.
Authors of publication	Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	10
Pages of publication	814 - 820
a	13.2652 ± 0.0013 Å
b	30.812 ± 0.003 Å
c	17.8231 ± 0.0018 Å
α	90°
β	92.078 ± 0.002°
γ	90°
Cell volume	7280 ± 1.2 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
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	0.0815
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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
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.	1507982.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507982.cif
62528	2012-07-09	cif/ Adding structures of 1507982 via cif-deposit CGI script.	1507982.cif