Crystallography Open Database

Information card for entry 7704198

Preview

Coordinates	7704198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H110 Ca2 N6
Calculated formula	C100 H110 Ca2 N6
Title of publication	2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.
Authors of publication	Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6627 - 6634
a	10.553 ± 0.002 Å
b	14.046 ± 0.003 Å
c	14.758 ± 0.003 Å
α	92.22 ± 0.03°
β	108.48 ± 0.03°
γ	97.02 ± 0.03°
Cell volume	2052.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252787 (current)	2020-06-05	cif/ Updating files of 7704198, 7704199, 7704200, 7704201, 7704202, 7704203, 7704204, 7704205 Original log message: Adding full bibliography for 7704198--7704205.cif.	7704198.cif
251257	2020-04-29	cif/ Adding structures of 7704198, 7704199, 7704200, 7704201, 7704202, 7704203, 7704204, 7704205 via cif-deposit CGI script.	7704198.cif