Crystallography Open Database

Information card for entry 7028223

Preview

Coordinates	7028223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H50 Ba I2 O5
Calculated formula	C25 H50 Ba I2 O5
Title of publication	Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.
Authors of publication	Langer, Jens; Görls, Helmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	458 - 468
a	20.776 ± 0.0005 Å
b	9.2017 ± 0.0002 Å
c	34.0552 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6510.5 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028223.cif
105250	2014-03-12	cif/ Adding structures of 7028222, 7028223, 7028224 via cif-deposit CGI script.	7028223.cif