Crystallography Open Database

Information card for entry 1550067

Preview

Coordinates	1550067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H94 N4 Si2
Calculated formula	C70 H94 N4 Si2
Title of publication	Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.
Authors of publication	Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	45
Pages of publication	8474 - 8481
a	10.741 ± 0.0011 Å
b	11.0043 ± 0.0011 Å
c	15.1711 ± 0.0014 Å
α	69.405 ± 0.009°
β	70.878 ± 0.009°
γ	76.429 ± 0.009°
Cell volume	1571.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.194
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228842 (current)	2019-11-17	cif/ Updating files of 1550065, 1550066, 1550067, 1550068, 1550069, 1550070, 1550071, 1550072, 1550073, 1550074, 1550075, 1550076, 1550077 Original log message: Adding full bibliography for 1550065--1550077.cif.	1550067.cif
211553	2018-10-20	cif/ Adding structures of 1550065, 1550066, 1550067, 1550068, 1550069, 1550070, 1550071, 1550072, 1550073, 1550074, 1550075, 1550076, 1550077 via cif-deposit CGI script.	1550067.cif