Crystallography Open Database

Information card for entry 7712459

Preview

Coordinates	7712459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H54 Ag8 Fe4 N34 O9
Calculated formula	C61 H54 Ag8 Fe4 N34 O9
Title of publication	Guest-triggered "Soma-Iwamoto-type" penetration complex {Fe(4-methoxypyrimidine)<sub>2</sub>[M(CN)<sub>2</sub>]<sub>2</sub>}·Guest (M = Ag, Au).
Authors of publication	Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2571 - 2579
a	15.4985 ± 0.0018 Å
b	27.743 ± 0.003 Å
c	20.928 ± 0.003 Å
α	90°
β	112.563 ± 0.002°
γ	90°
Cell volume	8309.8 ± 1.8 Å³
Cell temperature	87 ± 2 K
Ambient diffraction temperature	87 ± 2 K
Number of distinct elements	6
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	0.0994
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
281198 (current)	2023-03-01	cif/ Adding structures of 7712453, 7712454, 7712455, 7712456, 7712457, 7712458, 7712459, 7712460, 7712461, 7712462, 7712463, 7712464, 7712465 via cif-deposit CGI script.	7712459.cif