Crystallography Open Database

Information card for entry 7119198

7119197 << 7119198 >> 7119199

Preview

Coordinates	7119198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C399 H407 Cd8 N101 O87
Calculated formula	C399 H403 Cd8 N97 O75
Title of publication	Photoinduced energy- and electron-transfer from a photoactive coordination cage to bound guests.
Authors of publication	Piper, Jerico R.; Cletheroe, Lewis; Taylor, Christopher G. P.; Metherell, Alexander J.; Weinstein, Julia A.; Sazanovich, Igor V.; Ward, Michael D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	53
Journal issue	2
Pages of publication	408 - 411
a	23.1625 ± 0.0003 Å
b	23.7759 ± 0.0004 Å
c	24.2858 ± 0.0003 Å
α	108.55 ± 0.001°
β	101.782 ± 0.001°
γ	90.416 ± 0.001°
Cell volume	12374.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.3005
Weighted residual factors for all reflections included in the refinement	0.3325
Goodness-of-fit parameter for all reflections included in the refinement	1.273
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
189725 (current)	2017-01-01	cif/ Adding structures of 7119198 via cif-deposit CGI script.	7119198.cif