Crystallography Open Database

Information card for entry 7020849

7020848 << 7020849 >> 7020850

Preview

Coordinates	7020849.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ca{HC(C(Me)NAr')2}(BH4)(THF)2
Formula	C37 H61 B Ca N2 O2
Calculated formula	C37 H61 B Ca N2 O2
Title of publication	Synthesis and rac-lactide ring-opening polymerisation studies of new alkaline earth tetrahydroborate complexes.
Authors of publication	Collins, Richard A.; Unruangsri, Junjuda; Mountford, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	3
Pages of publication	759 - 769
a	14.6535 ± 0.0002 Å
b	15.6432 ± 0.0002 Å
c	17.6883 ± 0.0003 Å
α	75.6264 ± 0.0006°
β	81.3505 ± 0.0006°
γ	70.8144 ± 0.0007°
Cell volume	3699.07 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections	0.0674
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.0407
Goodness-of-fit parameter for all reflections included in the refinement	1.1353
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7020849.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020849.cif
73686	2013-02-21	cif/ Adding structures of 7020848, 7020849, 7020850 via cif-deposit CGI script.	7020849.cif