Crystallography Open Database

Information card for entry 7703019

Preview

Coordinates	7703019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H73 Cl N6 O2 Pr
Calculated formula	C62 H73 Cl N6 O2 Pr
Title of publication	Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.
Authors of publication	Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	877 - 884
a	13.8885 ± 0.0003 Å
b	14.0584 ± 0.0002 Å
c	20.1573 ± 0.0003 Å
α	76.568 ± 0.001°
β	80.439 ± 0.002°
γ	62.616 ± 0.002°
Cell volume	3391.09 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
247738 (current)	2020-02-04	cif/ Updating files of 7703018, 7703019, 7703020, 7703021, 7703022, 7703023, 7703024, 7703025, 7703026, 7703027, 7703028 Original log message: Adding full bibliography for 7703018--7703028.cif.	7703019.cif
245474	2019-12-21	cif/ Adding structures of 7703018, 7703019, 7703020, 7703021, 7703022, 7703023, 7703024, 7703025, 7703026, 7703027, 7703028 via cif-deposit CGI script.	7703019.cif