Crystallography Open Database

Information card for entry 4114458

Preview

Coordinates	4114458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 O6 Rb
Calculated formula	C25 H35 O6 Rb
SMILES	[Rb]12345(C(c6ccccc6)c6ccccc6)[O]6CC[O]3CC[O]5CC[O]2CC[O]4CC[O]1CC6
Title of publication	An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide
Authors of publication	Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	15002 - 15003
a	16.7419 ± 0.0005 Å
b	16.7419 ± 0.0005 Å
c	18.2494 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5115.1 ± 0.4 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178915 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44.	4114458.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114458.cif
67784	2012-10-04	cif/ Adding structures of 4114458 via cif-deposit CGI script.	4114458.cif