Crystallography Open Database

Information card for entry 7219631

7219630 << 7219631 >> 7219632

Preview

Coordinates	7219631.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	16tBuPcYb
Chemical name	16tBuPcYb
Formula	C157 H204 Cl3 Co N8 O18 P3 Yb
Calculated formula	C157 H204 Cl3 Co N8 O18 P3 Yb
Title of publication	Effects of Peripheral Substitutions on the Singlet Oxygen Quantum Yields of Monophthalocyaninato Ytterbium(III) Complexes
Authors of publication	Zhang, Quanquan; Cheng, Guoe; Ke, Hanzhong; Zhu, Xunjin; Zhu, Nianyong; Wong, Wai-Yeung (Raymond); Wong, Wai-Kwok Rick
Journal of publication	RSC Adv.
Year of publication	2015
a	19.6111 ± 0.0018 Å
b	19.6932 ± 0.0018 Å
c	24.446 ± 0.002 Å
α	81.59 ± 0.02°
β	70.14 ± 0.02°
γ	60.83 ± 0.02°
Cell volume	7751 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180527 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219631.cif
132205	2015-02-21	cif/ Adding structures of 7219631 via cif-deposit CGI script.	7219631.cif