Crystallography Open Database

Information card for entry 4077257

Preview

Coordinates	4077257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H55 K N2 O2 P2 Si2
Calculated formula	C39 H55 K N2 O2 P2 Si2
Title of publication	Monomeric Alkali Metal (Li, Na, K) Complexes of Bis(iminophosphorano)methanides
Authors of publication	Kamalesh Babu, Ruppa P.; Aparna, Kasani; McDonald, Robert; Cavell, Ronald G.
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	7
Pages of publication	1451
a	10.5559 ± 0.0005 Å
b	17.5139 ± 0.0009 Å
c	22.8781 ± 0.001 Å
α	90°
β	93.796 ± 0.001°
γ	90°
Cell volume	4220.3 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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	0.0781
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
178661 (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 4/07/72.	4077257.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077257.cif
54267	2012-04-24	cif/ Adding structures of 4077255, 4077256, 4077257 via cif-deposit CGI script.	4077257.cif