Crystallography Open Database

Information card for entry 7121444

Preview

Coordinates	7121444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H37 N4 O8 Yb
Calculated formula	C45 H37 N4 O8 Yb
Title of publication	Lanthanide-based near-infrared emitting metal-organic frameworks with tunable excitation wavelengths and high quantum yields.
Authors of publication	Nguyen, Tu N.; Capano, Gloria; Gładysiak, Andrzej; Ebrahim, Fatmah Mish; Eliseeva, Svetlana V.; Chidambaram, Arunraj; Valizadeh, Bardiya; Petoud, Stéphane; Smit, Berend; Stylianou, Kyriakos C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	50
Pages of publication	6816 - 6819
a	10.4314 ± 0.0002 Å
b	17.6395 ± 0.0001 Å
c	21.5389 ± 0.0002 Å
α	90°
β	95.133 ± 0.001°
γ	90°
Cell volume	3947.36 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.72179 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228315 (current)	2019-11-17	cif/ Updating files of 7121444, 7121445 Original log message: Adding full bibliography for 7121444--7121445.cif.	7121444.cif
207116	2018-03-27	cif/ Adding structures of 7121444, 7121445 via cif-deposit CGI script.	7121444.cif