Crystallography Open Database

Information card for entry 4319671

4319670 << 4319671 >> 4319672

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Coordinates	4319671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H76 Li2 N4 O5 P2 S2
Calculated formula	C36 H76 Li2 N4 O5 P2 S2
Title of publication	Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-
Authors of publication	Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2547 - 2553
a	13.172 ± 0.003 Å
b	16.877 ± 0.002 Å
c	10.3952 ± 0.0016 Å
α	91.917 ± 0.012°
β	90.428 ± 0.016°
γ	95.251 ± 0.014°
Cell volume	2299.8 ± 0.7 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1281
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179276 (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 4/31/96.	4319671.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319671.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319671.cif
16472	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319671 via cif-deposit CGI script.	4319671.cif