Crystallography Open Database

Information card for entry 7057066

Preview

Coordinates	7057066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H70 Ag3 Cl3 N14 O13
Calculated formula	C61.02 H66 Ag3 Cl3 N14 O13
Title of publication	Synthesis of cocrystals/salts of flucytosine: Structure and stability
Authors of publication	Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	7
Pages of publication	5433
a	24.386 ± 0.003 Å
b	24.386 ± 0.003 Å
c	24.386 ± 0.003 Å
α	44.76 ± 0.02°
β	44.76 ± 0.02°
γ	44.76 ± 0.02°
Cell volume	6541 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :R
Hall space group symbol	-P 3* 2n
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for all reflections	0.2383
Weighted residual factors for significantly intense reflections	0.2122
Goodness-of-fit parameter for all reflections	1.207
Goodness-of-fit parameter for significantly intense reflections	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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