Crystallography Open Database

Information card for entry 1561875

Preview

Coordinates	1561875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H73 Br3 F12 Fe N6 O10 P2
Calculated formula	C69.98 H72.94 Br3 F12 Fe N6 O9.99 P1.9999
Title of publication	Solvent-dependent fac/mer-isomerization and self-assembly of triply helical complexes bearing a pivot part
Authors of publication	Morozumi, Takuma; Matsuoka, Ryota; Nakamura, Takashi; Nabeshima, Tatsuya
Journal of publication	Chemical Science
Year of publication	2021
a	13.982 ± 0.003 Å
b	13.982 ± 0.003 Å
c	67.108 ± 0.015 Å
α	90°
β	90°
γ	120°
Cell volume	11362 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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