Crystallography Open Database

Information card for entry 1548309

Preview

Coordinates	1548309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn
Calculated formula	C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn
Title of publication	An allosteric photoredox catalyst inspired by photosynthetic machinery
Authors of publication	Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	6541
a	15.6349 ± 0.0009 Å
b	18.4356 ± 0.0012 Å
c	21.753 ± 0.0015 Å
α	107.517 ± 0.004°
β	110.288 ± 0.004°
γ	96.416 ± 0.004°
Cell volume	5442.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.194
Residual factor for significantly intense reflections	0.1434
Weighted residual factors for significantly intense reflections	0.3731
Weighted residual factors for all reflections included in the refinement	0.4064
Goodness-of-fit parameter for all reflections included in the refinement	1.333
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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