Crystallography Open Database

Information card for entry 4319658

4319657 << 4319658 >> 4319659

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Coordinates	4319658.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Potassium dirheniumhexacarbonylhexaniobate
Formula	C6 H58 K6 Nb6 O54 Re2
Calculated formula	C6 K6 Nb6 O53.668 Re2
Title of publication	Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)
Authors of publication	Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2582 - 2586
a	21.8666 ± 0.0019 Å
b	10.3085 ± 0.0009 Å
c	26.78 ± 0.002 Å
α	90°
β	108.787 ± 0.001°
γ	90°
Cell volume	5714.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	4319658.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319658.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319658.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' ) &	4319658.cif
16459	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319658 via cif-deposit CGI script.	4319658.cif