Crystallography Open Database

Information card for entry 7062813

Preview

Coordinates	7062813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H45 Cl5 F17 N3 O8
Calculated formula	C60 H40 F17 N3 O8
Title of publication	Unveiling protonated form of 2,6-di-m-phenylpyridine embedded isosmaragdyrin analogue and its organo-Pd(ii) complex
Authors of publication	Pradhan, Sourav Ranjan; Murugavel, M.; Chitranshi, Sangya; Kim, Gakhyun; Kim, Dongho; Das, Mainak; Srinivasan, A.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	43
Pages of publication	19987 - 19992
a	17.3774 ± 0.0004 Å
b	19.4464 ± 0.0003 Å
c	20.1641 ± 0.0004 Å
α	90°
β	97.8318 ± 0.0019°
γ	90°
Cell volume	6750.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0784
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062813.html