Crystallography Open Database

Information card for entry 4518639

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Coordinates	4518639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 Ag3 Br2 Fe N7
Calculated formula	C17 H12 Ag3 Br2 Fe N7
Title of publication	A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit
Authors of publication	Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi
Journal of publication	ACS Omega
Year of publication	2021
a	12.7439 ± 0.0007 Å
b	13.6462 ± 0.0008 Å
c	14.0322 ± 0.0008 Å
α	90°
β	101.116 ± 0.001°
γ	90°
Cell volume	2394.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.412
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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