Crystallography Open Database

Information card for entry 4311997

4311996 << 4311997 >> 4311998

Preview

Coordinates	4311997.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ar'PbBr)2
Formula	C60 H74 Br2 Pb2
Calculated formula	C60 H74 Br2 Pb2
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Pb]1[Br][Pb](c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Br]1
Title of publication	Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes
Authors of publication	Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7346 - 7352
a	13.3164 ± 0.0018 Å
b	14.1792 ± 0.0018 Å
c	14.6144 ± 0.0018 Å
α	90°
β	97.539 ± 0.008°
γ	90°
Cell volume	2735.6 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0254
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179158 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19.	4311997.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311997.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311997.cif
3499	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4311997 via cif-deposit CGI script.	4311997.cif