Crystallography Open Database

Information card for entry 7706383

Preview

Coordinates	7706383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 Ir K3 N6
Calculated formula	C6 Ir K3 N6
Title of publication	Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.
Authors of publication	Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	1990 - 1994
a	10.532 ± 0.0004 Å
b	8.4511 ± 0.0003 Å
c	13.5945 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1210.01 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0385
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
262645 (current)	2021-03-05	cif/ Updating files of 7706383, 7706384, 7706385, 7706386, 7706387, 7706388, 7706389 Original log message: Adding full bibliography for 7706383--7706389.cif.	7706383.cif
260934	2021-01-14	cif/ Adding structures of 7706383, 7706384, 7706385, 7706386, 7706387, 7706388, 7706389 via cif-deposit CGI script.	7706383.cif