Crystallography Open Database

Information card for entry 4317388

Preview

Coordinates	4317388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H52 B2 F48 N12 O2 Sr
Calculated formula	C89 H52 B2 F48 N12 O2 Sr
Title of publication	Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)
Authors of publication	Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	19 - 27
a	14.1601 ± 0.0003 Å
b	13.1756 ± 0.0003 Å
c	27.1826 ± 0.0006 Å
α	90°
β	90.1744 ± 0.0007°
γ	90°
Cell volume	5071.37 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1148
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2427
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179253 (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 4/31/73.	4317388.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317388.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317388.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' ) &	4317388.cif
11867	2011-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4317388 via cif-deposit CGI script.	4317388.cif