Crystallography Open Database

Information card for entry 4349415

Preview

Coordinates	4349415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174.85 H155.19 B3 Cl1.69 F24 N12 O18.25 P6 Pd3 S6
Calculated formula	C174.846 H154.691 B3 Cl1.6914 F24 N12 O18.25 P6 Pd3 S6
Title of publication	Self-Assembled Novel BODIPY-Based Palladium Supramolecules and Their Cellular Localization.
Authors of publication	Gupta, Gajendra; Das, Abhishek; Park, Kyoung Chul; Tron, Artur; Kim, Hyunuk; Mun, Junyoung; Mandal, Nripendranath; Chi, Ki-Whan; Lee, Chang Yeon
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	8
Pages of publication	4616 - 4622
a	27.571 ± 0.006 Å
b	31.893 ± 0.006 Å
c	34.388 ± 0.007 Å
α	110.88 ± 0.03°
β	113.19 ± 0.03°
γ	91.32 ± 0.03°
Cell volume	25495 ± 13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1476
Residual factor for significantly intense reflections	0.1333
Weighted residual factors for significantly intense reflections	0.3925
Weighted residual factors for all reflections included in the refinement	0.4139
Goodness-of-fit parameter for all reflections included in the refinement	1.809
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233966 (current)	2019-11-23	cif/ Adding structures of 4349415 via cif-deposit CGI script.	4349415.cif