Crystallography Open Database

Information card for entry 1515054

Preview

Coordinates	1515054.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PhNCNLuH(THF))2(PhCHCHPh)
Formula	C84 H108 Lu2 N4 O2
Calculated formula	C84 H108 Lu2 N4 O2
SMILES	CC(c1cccc(c1N1C(=[N]([Lu]231([H][Lu]145([H]3)(C(C2c2ccccc2)[C]34=CC=CC=[CH]53)([O]2CCCC2)N(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)c1ccccc1)C(C)C)C
Title of publication	Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands
Authors of publication	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	7
Pages of publication	2230
a	12.53 ± 0.005 Å
b	16.733 ± 0.005 Å
c	22.194 ± 0.005 Å
α	107.824 ± 0.005°
β	103.291 ± 0.005°
γ	91.97 ± 0.005°
Cell volume	4284 ± 2 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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.	1515054.cif
110852	2014-04-20	cif/ Adding structures of 1515049, 1515050, 1515051, 1515052, 1515053, 1515054, 1515055, 1515056 via cif-deposit CGI script.	1515054.cif