Crystallography Open Database

Information card for entry 7029703

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Structure parameters

Common name	[(PYR-nacnac)(MgH)2]2
Formula	C78 H106 Mg4 N10
Calculated formula	C78 H106 Mg4 N10
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	24.0463 ± 0.0016 Å
b	15.4013 ± 0.001 Å
c	22.4206 ± 0.0015 Å
α	90°
β	103.909 ± 0.004°
γ	90°
Cell volume	8059.9 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
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	0.1025
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7029703.cif
180003	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.	7029703.cif
124710	2014-10-06	cif/ Updating files of 7029701, 7029702, 7029703 Original log message: Adding full bibliography for 7029701--7029703.cif.	7029703.cif
109499	2014-04-15	cif/ Adding structures of 7029701, 7029702, 7029703 via cif-deposit CGI script.	7029703.cif