Crystallography Open Database

Information card for entry 4078721

Preview

Coordinates	4078721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H69 N5 P2 Ru2
Calculated formula	C87 H69 N5 P2 Ru2
Title of publication	A Ruthenated [3]Dendralene from Phenylethyne and an η3-Butadienyl‒Ruthenium Complex
Authors of publication	Bruce, Michael I.; Skelton, Brian W.; Zaitseva, Natasha N.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5034
a	14.029 ± 0.002 Å
b	20.6924 ± 0.0017 Å
c	24.0829 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	6991.1 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	0.789
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
178676 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87.	4078721.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078721.cif
66377	2012-09-09	cif/ Adding structures of 4078721 via cif-deposit CGI script.	4078721.cif