Crystallography Open Database

Information card for entry 1570821

Preview

Coordinates	1570821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H69 B Ho N7
Calculated formula	C44 H69 B Ho N7
SMILES	c1(cc(C)n2[n]1[Ho]1(C)([n]3c(cc(C)n3[BH]2n2c(cc(C(C)(C)C)[n]12)C)C(C)(C)C)Nc1c(cccc1C(C)C)C(C)C)C(C)(C)C.c1(ccccc1)C
Title of publication	Terminal dysprosium and holmium organoimides.
Authors of publication	Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	10
Pages of publication	3562 - 3570
a	10.767 ± 0.005 Å
b	12.621 ± 0.006 Å
c	17.188 ± 0.009 Å
α	77.029 ± 0.013°
β	81.681 ± 0.016°
γ	88.061 ± 0.009°
Cell volume	2252.1 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0371
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
290838 (current)	2024-04-05	cif/ Updating files of 1570817, 1570818, 1570819, 1570820, 1570821, 1570822, 1570823, 1570824, 1570825, 1570826, 1570827, 1570828, 1570829, 1570830, 1570831 Original log message: Adding full bibliography for 1570817--1570831.cif.	1570821.cif
289183	2024-01-23	cif/ Adding structures of 1570817, 1570818, 1570819, 1570820, 1570821, 1570822, 1570823, 1570824, 1570825, 1570826, 1570827, 1570828, 1570829, 1570830, 1570831 via cif-deposit CGI script.	1570821.cif