Crystallography Open Database

Information card for entry 4319685

4319684 << 4319685 >> 4319686

Preview

Coordinates	4319685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Co N9 P
Calculated formula	C30 H20 Co N9.03 P
Title of publication	1-D and 2-D Homoleptic Dicyanamide Structures, [Ph4P]2{CoII[N(CN)2]4} and [Ph4P]{M[N(CN)2]3} (M = Mn, Co)
Authors of publication	James W. Raebiger; Jamie L. Manson; Roger D. Sommer; Urs Geiser; Arnold L. Rheingold; Joel S. Miller
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2578 - 2581
a	13.4354 ± 0.001 Å
b	7.4426 ± 0.0005 Å
c	14.1556 ± 0.001 Å
α	90°
β	101.087 ± 0.001°
γ	90°
Cell volume	1389.06 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
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.	4319685.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319685.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319685.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319685.cif
16486	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319685 via cif-deposit CGI script.	4319685.cif