Crystallography Open Database

Information card for entry 4317391

Preview

Coordinates	4317391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H56 B2 F48 N12 O2 Sr
Calculated formula	C90 H56 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	14.2709 ± 0.0007 Å
b	13.2646 ± 0.0007 Å
c	27.4189 ± 0.0013 Å
α	90°
β	90.385 ± 0.001°
γ	90°
Cell volume	5190.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.132
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2582
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
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.	4317391.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317391.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317391.cif
11870	2011-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4317391 via cif-deposit CGI script.	4317391.cif