Crystallography Open Database

Information card for entry 1573751

Preview

Coordinates	1573751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 In2 N2 O2
Calculated formula	C18 H36 In2 N2 O2
SMILES	C1(C)(C)CCCC(N1[O]1[In][O](N2C(C)(C)CCCC2(C)C)[In]1)(C)C
Title of publication	Metal-ligand cooperativity enables zero-valent metal transfer.
Authors of publication	Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	3888 - 3894
a	12.4969 ± 0.001 Å
b	9.4605 ± 0.0005 Å
c	18.0744 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2136.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
301209 (current)	2025-07-10	cif/1: Fixing Z values and formulae	1573751.cif
298152	2025-03-04	cif/ Updating files of 1573748, 1573749, 1573750, 1573751, 1573752 Original log message: Adding full bibliography for 1573748--1573752.cif.	1573751.cif
297427	2025-01-23	cif/ Adding structures of 1573748, 1573749, 1573750, 1573751, 1573752 via cif-deposit CGI script.	1573751.cif