Crystallography Open Database

Information card for entry 4319684

4319683 << 4319684 >> 4319685

Preview

Coordinates	4319684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 Co N12 P2
Calculated formula	C56 H40 Co N12 P2
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	23.3789 ± 0.001 Å
b	7.5684 ± 0.0003 Å
c	28.3778 ± 0.0012 Å
α	90°
β	105.621 ± 0.001°
γ	90°
Cell volume	4835.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4319684.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319684.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319684.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' ) &	4319684.cif
16485	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319684 via cif-deposit CGI script.	4319684.cif