Crystallography Open Database

Information card for entry 4321708

Preview

Coordinates	4321708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 F6 N2 O6.5 P4 S2 W
Calculated formula	C36 H50 F6 N2 O6.5 P4 S2 W
Title of publication	Formation of Ammonia in the Reactions of a Tungsten Dinitrogen with Ruthenium Dihydrogen Complexes under Mild Reaction Conditions1
Authors of publication	Yoshiaki Nishibayashi; Shin Takemoto; Shotaro Iwai; Masanobu Hidai
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5946 - 5957
a	11.818 ± 0.005 Å
b	33.978 ± 0.006 Å
c	12.163 ± 0.004 Å
α	90°
β	109.24 ± 0.02°
γ	90°
Cell volume	4611 ± 3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	8
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	0.0386
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0331
Weighted residual factors for all reflections included in the refinement	0.0331
Goodness-of-fit parameter for all reflections included in the refinement	1.678
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321708.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321708.cif
19473	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321708 via cif-deposit CGI script.	4321708.cif