Crystallography Open Database

Information card for entry 7029702

Preview

Coordinates	7029702.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PYR)-Mg2(DIPPNHBH3)2.(C6H6)3.5
Formula	C84 H114 B2 Mg2 N7
Calculated formula	C84 H114 B2 Mg2 N7
Title of publication	Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster.
Authors of publication	Harder, Sjoerd; Spielmann, Jan; Intemann, Julia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	38
Pages of publication	14284 - 14290
a	14.5633 ± 0.001 Å
b	15.0972 ± 0.001 Å
c	20.1383 ± 0.0012 Å
α	88.321 ± 0.002°
β	71.161 ± 0.002°
γ	68.872 ± 0.002°
Cell volume	3889.7 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180003 (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 7/02/97.	7029702.cif
124710	2014-10-06	cif/ Updating files of 7029701, 7029702, 7029703 Original log message: Adding full bibliography for 7029701--7029703.cif.	7029702.cif
109499	2014-04-15	cif/ Adding structures of 7029701, 7029702, 7029703 via cif-deposit CGI script.	7029702.cif