Crystallography Open Database

Information card for entry 7129704

Preview

Coordinates	7129704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H4 Ag B F18 Fe N6 O5
Calculated formula	C20 H4 Ag B F18 Fe N6 O5
SMILES	[Ag]1234([Fe](C3=O)(C4=O)(C#[O])(C#[O])C#[O])[n]3n(c(cc3C(F)(F)F)C(F)(F)F)[BH](n3[n]1c(cc3C(F)(F)F)C(F)(F)F)n1[n]2c(cc1C(F)(F)F)C(F)(F)F
Title of publication	Iron pentacarbonyl ligands on silver scorpionates
Authors of publication	Wang, Guocang; Noonikara Poyil, Anurag; Fernandez, Israel; Dias, Rasika
Journal of publication	Chemical Communications
Year of publication	2022
a	11.4955 ± 0.0004 Å
b	25.9298 ± 0.0008 Å
c	10.7081 ± 0.0003 Å
α	90°
β	113.251 ± 0.001°
γ	90°
Cell volume	2932.6 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0297
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.0602
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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