Crystallography Open Database

Information card for entry 7000247

Preview

Coordinates	7000247.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Chisholm 1609
Formula	C30 H46 B I Mg N6 O3
Calculated formula	C30 H46 B I Mg N6 O3
Title of publication	Synthesis and coordination chemistry of TpCMI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate
Authors of publication	Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	2
Pages of publication	368 - 374
a	14.9023 ± 0.0002 Å
b	14.9023 ± 0.0002 Å
c	14.9023 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3309.48 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation probe	x-ray
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
179680 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/02.	7000247.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000247.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000247.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000247.cif